wien

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2022/01/20 Re: [Wien] amorphous binary rare-earth transition metal alloys Rubel, Oleg
2022/01/20 Re: [Wien] Converging full hybrid calculation shamik chakrabarti
2022/01/20 [Wien] Converged solution with PRATT shamik chakrabarti
2022/01/19 Re: [Wien] amorphous binary rare-earth transition metal alloys Gavin Abo
2022/01/19 [Wien] amorphous binary rare-earth transition metal alloys sherif Yehia
2022/01/18 Re: [Wien] compile error after applying patches_w2k_ver21.1 Ashwani Kumar
2022/01/17 Re: [Wien] Converging full hybrid calculation shamik chakrabarti
2022/01/17 Re: [Wien] Converging full hybrid calculation Tran, Fabien
2022/01/17 Re: [Wien] Problem with fold2Bloch in real calculations Véronique BROUET
2022/01/17 Re: [Wien] compile error after applying patches_w2k_ver21.1 Gavin Abo
2022/01/17 Re: [Wien] compile error after applying patches_w2k_ver21.1 Laurence Marks
2022/01/17 Re: [Wien] compile error after applying patches_w2k_ver21.1 Gavin Abo
2022/01/17 [Wien] Converging full hybrid calculation shamik chakrabarti
2022/01/17 Re: [Wien] Oscillating convergence shamik chakrabarti
2022/01/17 [Wien] compile error after applying patches_w2k_ver21.1 Ashwani Kumar
2022/01/14 Re: [Wien] Is MBJ applicable for half metals? shamik chakrabarti
2022/01/14 Re: [Wien] Is MBJ applicable for half metals? Tran, Fabien
2022/01/14 [Wien] Is MBJ applicable for half metals? shamik chakrabarti
2022/01/13 Re: [Wien] Problem with fold2Bloch in real calculations Rubel, Oleg
2022/01/13 Re: [Wien] Problem with fold2Bloch in real calculations Véronique BROUET
2022/01/12 Re: [Wien] Problem with fold2Bloch in real calculations Rubel, Oleg
2022/01/12 Re: [Wien] fold2bloch: unfolded band-structure plot have addition bands Rubel, Oleg
2022/01/12 Re: [Wien] fold2bloch: unfolded band-structure plot have addition bands Asif Ali
2022/01/12 Re: [Wien] Oscillating convergence shamik chakrabarti
2022/01/12 Re: [Wien] Oscillating convergence Tran, Fabien
2022/01/12 Re: [Wien] Oscillating convergence shamik chakrabarti
2022/01/12 Re: [Wien] Oscillating convergence shamik chakrabarti
2022/01/12 Re: [Wien] Oscillating convergence Tran, Fabien
2022/01/12 Re: [Wien] Oscillating convergence Peter Blaha
2022/01/12 Re: [Wien] Oscillating convergence shamik chakrabarti
2022/01/12 Re: [Wien] Oscillating convergence Peter Blaha
2022/01/11 [Wien] Oscillating convergence shamik chakrabarti
2022/01/11 Re: [Wien] fold2bloch: unfolded band-structure plot have addition bands Peter Blaha
2022/01/11 Re: [Wien] Problem with fold2Bloch in real calculations Rubel, Oleg
2022/01/11 Re: [Wien] fold2bloch: unfolded band-structure plot have addition bands Asif Ali
2022/01/11 [Wien] Problem with fold2Bloch in real calculations Véronique BROUET
2022/01/11 Re: [Wien] Problem with fold2Bloch in real calculations Rubel, Oleg
2022/01/11 Re: [Wien] fold2bloch: unfolded band-structure plot have addition bands Rubel, Oleg
2022/01/11 [Wien] Problem with fold2Bloch in real calculations Véronique BROUET
2022/01/08 [Wien] fold2bloch: unfolded band-structure plot have addition bands Asif Ali
2022/01/08 Re: [Wien] Non-degenerate dxy, dyz and dxz PDOS in cubic perovskite Asif Ali
2022/01/03 Re: [Wien] Non-degenerate dxy, dyz and dxz PDOS in cubic perovskite Peter Blaha
2022/01/03 [Wien] Non-degenerate dxy, dyz and dxz PDOS in cubic perovskite Asif Ali
2022/01/01 Re: [Wien] qtl-cfp Tran, Fabien
2022/01/01 Re: [Wien] qtl-cfp Fecher, Gerhard
2021/12/31 [Wien] qtl-cfp reyhaneh ebrahimi
2021/12/28 Re: [Wien] error in parallel calculations Gavin Abo
2021/12/28 Re: [Wien] error in parallel calculations SANDEEP ARORA
2021/12/27 Re: [Wien] error in parallel calculations Gavin Abo
2021/12/26 Re: [Wien] error in parallel calculations SANDEEP ARORA
2021/12/26 Re: [Wien] Mixer probelem Gavin Abo
2021/12/26 Re: [Wien] error in parallel calculations Gavin Abo
2021/12/26 Re: [Wien] Mixer probelem Gavin Abo
2021/12/26 Re: [Wien] Mixer probelem Peter Blaha
2021/12/26 Re: [Wien] Mixer probelem Laurence Marks
2021/12/26 [Wien] Mixer probelem Igor I Mazin
2021/12/26 [Wien] error in parallel calculations SANDEEP ARORA
2021/12/15 [Wien] Could not find E-Bottom in LAPW1 shamik chakrabarti
2021/12/15 Re: [Wien] QTL error TELNES David Holec
2021/12/15 Re: [Wien] QTL error TELNES Peter Blaha
2021/12/15 [Wien] QTL error TELNES Philippe JONNARD
2021/12/06 Re: [Wien] mstar: Error: dM is not finite Rubel, Oleg
2021/12/06 Re: [Wien] mstar: Error: dM is not finite Dr. K. C. Bhamu
2021/12/06 Re: [Wien] mstar: Error: dM is not finite Gavin Abo
2021/12/06 Re: [Wien] mstar: Error: dM is not finite Dr. K. C. Bhamu
2021/12/06 Re: [Wien] mstar: Error: dM is not finite Dr. K. C. Bhamu
2021/12/06 Re: [Wien] mstar: Error: dM is not finite Dr. K. C. Bhamu
2021/12/05 Re: [Wien] mstar: Error: dM is not finite Rubel, Oleg
2021/12/05 Re: [Wien] mstar: Error: dM is not finite Laurence Marks
2021/12/05 Re: [Wien] mstar: Error: dM is not finite Gavin Abo
2021/12/05 [Wien] mstar: Error: dM is not finite Dr. K. C. Bhamu
2021/12/04 Re: [Wien] How to find the exact value of infinte epsilon? Atefe Marasi
2021/11/30 Re: [Wien] qtl reyhaneh ebrahimi
2021/11/30 Re: [Wien] WARNING Backtracking, rise Laurence Marks
2021/11/30 Re: [Wien] How to find the exact value of infinte epsilon? Gavin Abo
2021/11/29 Re: [Wien] How to find the exact value of infinte epsilon? Fecher, Gerhard
2021/11/29 Re: [Wien] How to find the exact value of infinte epsilon? Atefe Marasi
2021/11/29 Re: [Wien] How to find the exact value of infinte epsilon? Pavel Ondračka
2021/11/29 Re: [Wien] How to find the exact value of infinte epsilon? xavier rocquefelte
2021/11/29 [Wien] How to find the exact value of infinte epsilon? Atefe Marasi
2021/11/29 Re: [Wien] Continuing confusion in dos... Tran, Fabien
2021/11/29 Re: [Wien] Continuing confusion in dos... Peter Blaha
2021/11/29 Re: [Wien] Continuing confusion in dos... Gavin Abo
2021/11/28 Re: [Wien] Continuing confusion in dos... shamik chakrabarti
2021/11/28 Re: [Wien] Continuing confusion in dos... Tran, Fabien
2021/11/28 Re: [Wien] Continuing confusion in dos... shamik chakrabarti
2021/11/28 Re: [Wien] Continuing confusion in dos... shamik chakrabarti
2021/11/28 Re: [Wien] Continuing confusion in dos... Tran, Fabien
2021/11/28 Re: [Wien] Continuing confusion in dos... shamik chakrabarti
2021/11/28 Re: [Wien] Continuing confusion in dos... Tran, Fabien
2021/11/28 [Wien] Continuing confusion in dos... shamik chakrabarti
2021/11/27 Re: [Wien] Confusion about DOS shamik chakrabarti
2021/11/27 Re: [Wien] Confusion about DOS shamik chakrabarti
2021/11/27 Re: [Wien] Confusion about DOS shamik chakrabarti
2021/11/27 Re: [Wien] Confusion about DOS Tran, Fabien
2021/11/27 Re: [Wien] Confusion about DOS shamik chakrabarti
2021/11/27 Re: [Wien] Confusion about DOS Peter Blaha
2021/11/27 Re: [Wien] Confusion about DOS shamik chakrabarti
2021/11/27 Re: [Wien] Confusion about DOS Peter Blaha
2021/11/27 Re: [Wien] Confusion about DOS shamik chakrabarti
2021/11/27 Re: [Wien] Confusion about DOS Tran, Fabien
2021/11/27 Re: [Wien] compilation problem Peter Blaha
2021/11/27 Re: [Wien] qtl Peter Blaha
2021/11/27 Re: [Wien] qtl Fecher, Gerhard
2021/11/26 [Wien] Confusion about DOS shamik chakrabarti
2021/11/26 [Wien] compilation problem SANDEEP ARORA
2021/11/26 [Wien] qtl reyhaneh ebrahimi
2021/11/26 Re: [Wien] Simulation of DOS for a calculation with -hf Tran, Fabien
2021/11/26 [Wien] Simulation of DOS for a calculation with -hf shamik chakrabarti
2021/11/26 Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran Pavel Ondračka
2021/11/26 Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran Gavin Abo
2021/11/25 Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran Pavel Ondračka
2021/11/25 Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran David Holec
2021/11/24 Re: [Wien] Shifting atoms in struct file for wanniertools Asif Ali
2021/11/24 Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran Pavel Ondračka
2021/11/24 Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran David Holec
2021/11/24 Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran Peter Blaha
2021/11/24 Re: [Wien] Shifting atoms in struct file for wanniertools Peter Blaha
2021/11/24 Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran Pavel Ondračka
2021/11/24 Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran Peter Blaha
2021/11/24 Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran David Holec
2021/11/24 Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran Pavel Ondračka
2021/11/24 Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran David Holec
2021/11/23 Re: [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran Pavel Ondračka
2021/11/23 [Wien] Shifting atoms in struct file for wanniertools Asif Ali
2021/11/23 [Wien] Compiling Wien2k 21.1 on Ubuntu 20.04 with gfortran David Holec
2021/11/19 Re: [Wien] Query regarding the k path selection for a supercell Anupriya Nyayban
2021/11/19 [Wien] Item shared with you: "AB0.75C0.25X3_YGZ.png" Anupriya Nyayban (via Google Drive)
2021/11/19 [Wien] Item shared with you: "AB0.75C0X3_GX.png" Anupriya Nyayban (via Google Drive)
2021/11/08 [Wien] Query regarding the k path selection for a supercell Anupriya Nyayban
2021/11/05 Re: [Wien] Wien post from [email protected] Laurence Marks
2021/11/05 Re: [Wien] Wien post from [email protected] Peter Blaha
2021/11/03 Re: [Wien] Optimization of an spinel structure Fecher, Gerhard
2021/11/03 Re: [Wien] Optimization of an spinel structure Peter Blaha
2021/11/03 Re: [Wien] Mixer error: NEC01 charge leakage too large Peter Blaha
2021/11/02 Re: [Wien] Optimization of an spinel structure delamora
2021/11/02 [Wien] 「Password」答复: Mixer error: NEC01 charge leakage_too_largeage too large ChenJie
2021/11/02 Re: [Wien] Mixer error: NEC01 charge leakage too large Laurence Marks
2021/11/02 [Wien] Mixer error: NEC01 charge leakage too large ChenJie
2021/11/02 Re: [Wien] Optimization of an spinel structure Fecher, Gerhard
2021/11/02 Re: [Wien] Optimization of an spinel structure Fecher, Gerhard
2021/11/01 Re: [Wien] Optimization of an spinel structure Laurence Marks
2021/11/01 Re: [Wien] Optimization of an spinel structure Laurence Marks
2021/11/01 [Wien] Optimization of an spinel structure delamora
2021/10/26 Re: [Wien] spaghetti.def failed Fecher, Gerhard
2021/10/26 [Wien] spaghetti.def failed Peeyush Kumar Kamlesh
2021/10/25 Re: [Wien] lapw2 -almd bug in wien2k 21.1 Peter Blaha
2021/10/24 Re: [Wien] Doubts regarding the volume optimization of a triclinic cell Anupriya Nyayban
2021/10/23 Re: [Wien] Doubts regarding the volume optimization of a triclinic cell Laurence Marks
2021/10/23 Re: [Wien] Doubts regarding the volume optimization of a triclinic cell Gavin Abo
2021/10/23 Re: [Wien] Doubts regarding the volume optimization of a triclinic cell Anupriya Nyayban
2021/10/22 Re: [Wien] Doubts regarding the volume optimization of a triclinic cell Dr. K. C. Bhamu
2021/10/22 Re: [Wien] Doubts regarding the volume optimization of a triclinic cell Peter Blaha
2021/10/22 [Wien] Doubts regarding the volume optimization of a triclinic cell Anupriya Nyayban
2021/10/19 Re: [Wien] Optimization prior to applying HSE06 Laurence Marks
2021/10/19 Re: [Wien] Optimization prior to applying HSE06 shamik chakrabarti
2021/10/19 Re: [Wien] Optimization prior to applying HSE06 Laurence Marks
2021/10/18 [Wien] Optimization prior to applying HSE06 shamik chakrabarti
2021/10/18 [Wien] lapw2 -almd bug in wien2k 21.1 Harrison LaBollita
2021/10/15 Re: [Wien] new script optimize_abc_lapw Mikhail Nestoklon
2021/10/15 [Wien] new script optimize_abc_lapw Mikhail Nestoklon
2021/10/15 Re: [Wien] new script optimize_abc_lapw Peter Blaha
2021/10/15 Re: [Wien] uplapw1.def failed Gavin Abo
2021/10/14 Re: [Wien] generalized regular k-point grids Pavel Ondračka
2021/10/14 Re: [Wien] generalized regular k-point grids Laurence Marks
2021/10/14 Re: [Wien] generalized regular k-point grids Peter Blaha
2021/10/14 [Wien] generalized regular k-point grids Pavel Ondračka
2021/10/14 Re: [Wien] uplapw1.def failed Laurence Marks
2021/10/13 [Wien] uplapw1.def failed shamik chakrabarti
2021/10/12 Re: [Wien] install WIEN2k_21.1 on Ubuntu 21.04 Laurence Marks
2021/10/12 Re: [Wien] install WIEN2k_21.1 on Ubuntu 21.04 David Sanchez
2021/10/12 Re: [Wien] install WIEN2k_21.1 on Ubuntu 21.04 Victor Zenou
2021/10/12 Re: [Wien] install WIEN2k_21.1 on Ubuntu 21.04 Victor Zenou
2021/10/12 Re: [Wien] install WIEN2k_21.1 on Ubuntu 21.04 David Sanchez
2021/10/12 Re: [Wien] install WIEN2k_21.1 on Ubuntu 21.04 Pavel Ondračka
2021/10/12 Re: [Wien] install WIEN2k_21.1 on Ubuntu 21.04 Yundi Quan
2021/10/12 [Wien] install WIEN2k_21.1 on Ubuntu 21.04 Victor Zenou
2021/10/12 Re: [Wien] Change in mixing parameter during running Fecher, Gerhard
2021/10/11 Re: [Wien] Change in mixing parameter during running Laurence Marks
2021/10/11 [Wien] Change in mixing parameter during running shamik chakrabarti
2021/10/09 Re: [Wien] Error in LAPW2 Gavin Abo
2021/10/08 Re: [Wien] Error in LAPW2 Laurence Marks
2021/10/08 [Wien] Error in LAPW2 shamik chakrabarti
2021/10/06 Re: [Wien] Basic question regarding mixing parameter & force optimization shamik chakrabarti
2021/10/06 Re: [Wien] Basic question regarding mixing parameter & force optimization Laurence Marks
2021/10/06 Re: [Wien] Basic question regarding mixing parameter & force optimization Tran, Fabien
2021/10/06 Re: [Wien] Basic question regarding mixing parameter & force optimization Laurence Marks
2021/10/06 Re: [Wien] Basic question regarding mixing parameter & force optimization Laurence Marks
2021/10/06 Re: [Wien] Basic question regarding mixing parameter & force optimization shamik chakrabarti
2021/10/06 Re: [Wien] Basic question regarding mixing parameter & force optimization shamik chakrabarti
2021/10/06 Re: [Wien] Basic question regarding mixing parameter & force optimization Tran, Fabien
2021/10/05 Re: [Wien] Basic question regarding mixing parameter & force optimization Laurence Marks
2021/10/05 [Wien] Basic question regarding mixing parameter & force optimization shamik chakrabarti
2021/10/04 Re: [Wien] Error in BerryPI Ver. Mar 15, 2021 Rubel, Oleg
2021/10/03 Re: [Wien] Fwd: Severe bug in SRC_aim Gavin Abo
2021/10/02 [Wien] Error in BerryPI Ver. Mar 15, 2021 turchenko
2021/10/02 Re: [Wien] Error in BerryPI Ver. Mar 15, 2021 Rubel, Oleg
2021/10/01 Re: [Wien] Query about HSE06 shamik chakrabarti
2021/10/01 Re: [Wien] Query about HSE06 Tran, Fabien
2021/09/30 Re: [Wien] Query about HSE06 shamik chakrabarti